N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide

C15H18F2N2O3 — CID 6905797

IUPACN-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
SMILESO=C(CO/N=C/c1ccc(OC(F)F)cc1)NC1CCCC1
InChIInChI=1S/C15H18F2N2O3/c16-15(17)22-13-7-5-11(6-8-13)9-18-21-10-14(20)19-12-3-1-2-4-12/h5-9,12,15H,1-4,10H2,(H,19,20)/b18-9+
InChIKeyIHDINPZQFAOJIV-GIJQJNRQSA-N
MW312.32 g/mol
LogP2.70
Rot. Bonds7

About N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide

N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide (PubChem CID 6905797) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
PubChem CID6905797
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC NameN-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
SMILESO=C(CO/N=C/c1ccc(OC(F)F)cc1)NC1CCCC1
InChIInChI=1S/C15H18F2N2O3/c16-15(17)22-13-7-5-11(6-8-13)9-18-21-10-14(20)19-12-3-1-2-4-12/h5-9,12,15H,1-4,10H2,(H,19,20)/b18-9+
InChIKeyIHDINPZQFAOJIV-GIJQJNRQSA-N
XLogP2.70
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7698887
(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7962251
N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 47010791
2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7644504
N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 3829252
2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7644489
2-[4-(difluoromethoxy)phenyl]-N-piperidin-4-ylacetamide
CID 119387703
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
CID 62226849
N-[(E)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 94833194
2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 2446018
2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 6905784
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 42902667

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide?
The IUPAC name of N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide (CID 6905797) is N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide.
What is the SMILES notation for N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide?
The canonical SMILES for N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide is O=C(CO/N=C/c1ccc(OC(F)F)cc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide?
The InChIKey is IHDINPZQFAOJIV-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c16-15(17)22-13-7-5-11(6-8-13)9-18-21-10-14(20)19-12-3-1-2-4-12/h5-9,12,15H,1-4,10H2,(H,19,20)/b18-9+.
What are the key properties of N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide?
N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide has a molecular weight of 312.32 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide is sourced from PubChem (CID 6905797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).